NP-MRD: Showing NP-Card for 2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-{[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxan-4-yl]oxy}-6-({[5-(1,2-dihydroxyethyl)-4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol (NP0196595)

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Record Information

Version

2.0

Created at

2022-09-04 14:42:53 UTC

Updated at

2022-09-04 14:42:53 UTC

NP-MRD ID

NP0196595

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-{[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxan-4-yl]oxy}-6-({[5-(1,2-dihydroxyethyl)-4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol

Description

2-({2-[(6-{[3,5-Dihydroxy-2-(hydroxymethyl)-6-{[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxan-4-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-5-(1,2-dihydroxyethyl)-4-hydroxyoxolan-3-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. 2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-{[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxan-4-yl]oxy}-6-({[5-(1,2-dihydroxyethyl)-4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol is found in Actinobacillus pleuropneumoniae. Based on a literature review very few articles have been published on 2-({2-[(6-{[3,5-dihydroxy-2-(hydroxymethyl)-6-{[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxan-4-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-5-(1,2-dihydroxyethyl)-4-hydroxyoxolan-3-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309042216422D          

 56 60  0  0  0  0            999 V2000
   -1.3222    0.7634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222   -0.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6078   -0.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1067   -0.0616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6078   -1.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2752   -1.7840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0203   -2.5687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5052   -3.2361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3257   -3.1499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8106   -3.8173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6311   -3.7311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1160   -4.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9365   -4.3123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2720   -3.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0925   -3.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5774   -4.1398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4281   -2.7187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6377   -1.4700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.6679   -0.1352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4222   -1.4700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 29 32  1  0  0  0  0
 23 32  1  0  0  0  0
 32 33  1  0  0  0  0
 21 34  1  0  0  0  0
 14 34  1  0  0  0  0
 34 35  1  0  0  0  0
 12 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
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 38 40  1  0  0  0  0
 10 40  1  0  0  0  0
 40 41  1  0  0  0  0
  7 42  1  0  0  0  0
 42 43  1  0  0  0  0
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  5 55  1  0  0  0  0
 55 56  1  0  0  0  0
M  END

     RDKit          3D

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M  END


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M  END
> <DATABASE_ID>
NP0196595

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OCC(O)C1OC(OCC2OC(OC3C(O)C(CO)OC(OC4C(O)C(O)OC(CO)C4O)C3O)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C30H52O26/c31-1-6(35)22-19(44)25(56-27-17(42)15(40)11(36)7(2-32)50-27)30(53-22)48-5-10-12(37)16(41)18(43)28(52-10)55-24-14(39)9(4-34)51-29(21(24)46)54-23-13(38)8(3-33)49-26(47)20(23)45/h6-47H,1-5H2

> <INCHI_KEY>
CTAYKDINHKJQMD-UHFFFAOYSA-N

> <FORMULA>
C30H52O26

> <MOLECULAR_WEIGHT>
828.72

> <EXACT_MASS>
828.274681794

> <JCHEM_ACCEPTOR_COUNT>
26

> <JCHEM_ATOM_COUNT>
108

> <JCHEM_AVERAGE_POLARIZABILITY>
78.42354656279801

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
17

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-{[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxan-4-yl]oxy}-6-({[5-(1,2-dihydroxyethyl)-4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol

> <JCHEM_LOGP>
-10.015881800666666

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.857895720202542

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.189467791110928

> <JCHEM_PKA_STRONGEST_BASIC>
-3.678622842890305

> <JCHEM_POLAR_SURFACE_AREA>
426.98000000000013

> <JCHEM_REFRACTIVITY>
165.57660000000007

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-{[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxan-4-yl]oxy}-6-({[5-(1,2-dihydroxyethyl)-4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  O   UNK     0      -2.468   1.425   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -2.468  -0.115   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.134  -0.885   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       0.199  -0.115   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      -1.134  -2.425   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -2.380  -3.330   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      -1.904  -4.795   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -2.810  -6.041   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -4.341  -5.880   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -5.246  -7.126   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -6.778  -6.965   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -7.683  -8.211   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -9.215  -8.050   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      -9.841  -6.643   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0     -11.373  -6.482   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0     -12.278  -7.728   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0     -11.999  -5.075   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0     -13.531  -4.914   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0     -14.157  -3.507   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0     -11.094  -3.829   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      -9.562  -3.990   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -8.657  -2.744   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      -9.283  -1.337   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0     -10.815  -1.176   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0     -11.720  -2.422   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0     -11.441   0.231   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0     -12.973   0.392   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0     -10.536   1.477   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      -9.005   1.316   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -8.099   2.561   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -8.726   3.968   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      -8.378  -0.091   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      -6.847  -0.252   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      -8.936  -5.397   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      -7.404  -5.558   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      -7.057  -9.617   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      -7.962 -10.863   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      -5.525  -9.778   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      -4.899 -11.185   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0      -4.620  -8.532   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      -3.088  -8.693   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0      -0.364  -4.795   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0       0.541  -6.041   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0       2.072  -5.880   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0       2.699  -4.473   0.000  0.00  0.00           O+0
HETATM   46  C   UNK     0       4.230  -4.312   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0       4.857  -2.905   0.000  0.00  0.00           C+0
HETATM   48  O   UNK     0       6.388  -2.744   0.000  0.00  0.00           O+0
HETATM   49  C   UNK     0       5.135  -5.558   0.000  0.00  0.00           C+0
HETATM   50  O   UNK     0       6.667  -5.397   0.000  0.00  0.00           O+0
HETATM   51  C   UNK     0       4.509  -6.965   0.000  0.00  0.00           C+0
HETATM   52  O   UNK     0       5.414  -8.211   0.000  0.00  0.00           O+0
HETATM   53  C   UNK     0       2.977  -7.126   0.000  0.00  0.00           C+0
HETATM   54  O   UNK     0       2.351  -8.532   0.000  0.00  0.00           O+0
HETATM   55  C   UNK     0       0.111  -3.330   0.000  0.00  0.00           C+0
HETATM   56  O   UNK     0       1.576  -2.854   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   55                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   42                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   40                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   36                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   34                                                  
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   20                                                  
CONECT   18   17   19                                                       
CONECT   19   18                                                            
CONECT   20   17   21                                                       
CONECT   21   20   22   34                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24   32                                                  
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29                                                       
CONECT   29   28   30   32                                                  
CONECT   30   29   31                                                       
CONECT   31   30                                                            
CONECT   32   29   23   33                                                  
CONECT   33   32                                                            
CONECT   34   21   14   35                                                  
CONECT   35   34                                                            
CONECT   36   12   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   10   41                                                  
CONECT   41   40                                                            
CONECT   42    7   43   55                                                  
CONECT   43   42   44                                                       
CONECT   44   43   45   53                                                  
CONECT   45   44   46                                                       
CONECT   46   45   47   49                                                  
CONECT   47   46   48                                                       
CONECT   48   47                                                            
CONECT   49   46   50   51                                                  
CONECT   50   49                                                            
CONECT   51   49   52   53                                                  
CONECT   52   51                                                            
CONECT   53   51   44   54                                                  
CONECT   54   53                                                            
CONECT   55   42    5   56                                                  
CONECT   56   55                                                            
MASTER        0    0    0    0    0    0    0    0   56    0  120    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₀H₅₂O₂₆

Average Mass

828.7200 Da

Monoisotopic Mass

828.27468 Da

IUPAC Name

Traditional Name

CAS Registry Number

Not Available

SMILES

OCC(O)C1OC(OCC2OC(OC3C(O)C(CO)OC(OC4C(O)C(O)OC(CO)C4O)C3O)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1O

InChI Identifier

InChI=1S/C30H52O26/c31-1-6(35)22-19(44)25(56-27-17(42)15(40)11(36)7(2-32)50-27)30(53-22)48-5-10-12(37)16(41)18(43)28(52-10)55-24-14(39)9(4-34)51-29(21(24)46)54-23-13(38)8(3-33)49-26(47)20(23)45/h6-47H,1-5H2

InChI Key

CTAYKDINHKJQMD-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Actinobacillus pleuropneumoniae	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Oligosaccharides

Alternative Parents

Substituents

Oligosaccharide
O-glycosyl compound
Glycosyl compound
Oxane
Tetrahydrofuran
Secondary alcohol
Hemiacetal
Oxacycle
Organoheterocyclic compound
Polyol
Acetal
Hydrocarbon derivative
Primary alcohol
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	-10	ChemAxon
pKa (Strongest Acidic)	11.19	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	26	ChemAxon
Hydrogen Donor Count	17	ChemAxon
Polar Surface Area	426.98 Å²	ChemAxon
Rotatable Bond Count	14	ChemAxon
Refractivity	165.58 m³·mol⁻¹	ChemAxon
Polarizability	78.42 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

162959869

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-{[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxan-4-yl]oxy}-6-({[5-(1,2-dihydroxyethyl)-4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol (NP0196595)

MOL for NP0196595 (2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-{[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxan-4-yl]oxy}-6-({[5-(1,2-dihydroxyethyl)-4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol)

3D MOL for NP0196595 (2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-{[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxan-4-yl]oxy}-6-({[5-(1,2-dihydroxyethyl)-4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol)

3D SDF for NP0196595 (2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-{[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxan-4-yl]oxy}-6-({[5-(1,2-dihydroxyethyl)-4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol)

3D-SDF for NP0196595 (2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-{[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxan-4-yl]oxy}-6-({[5-(1,2-dihydroxyethyl)-4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol)

PDB for NP0196595 (2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-{[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxan-4-yl]oxy}-6-({[5-(1,2-dihydroxyethyl)-4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol)

3D PDB for NP0196595 (2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-{[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxan-4-yl]oxy}-6-({[5-(1,2-dihydroxyethyl)-4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol)

SMILES for NP0196595 (2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-{[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxan-4-yl]oxy}-6-({[5-(1,2-dihydroxyethyl)-4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol)

INCHI for NP0196595 (2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-{[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxan-4-yl]oxy}-6-({[5-(1,2-dihydroxyethyl)-4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol)

Structure for NP0196595 (2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-{[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxan-4-yl]oxy}-6-({[5-(1,2-dihydroxyethyl)-4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol)

3D Structure for NP0196595 (2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-{[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxan-4-yl]oxy}-6-({[5-(1,2-dihydroxyethyl)-4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol)